SCHEMBL9897332

SCHEMBL9897332

Cc1[nH]c2c(-c3cc(C(F)F)ccc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CCCC[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.42
CNR2 P34972 7/20 0.42
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9897643 1.00 CNR1 (0.42) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL9897625 1.00 CNR1 (0.42) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL9896951 1.00 CNR1 (0.42) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL9898423 0.98 CNR2 (0.42) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL9898913 0.98 CNR2 (0.42) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL9898444 0.98 CNR2 (0.42) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL9895844 0.98 CNR2 (0.42) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL9898818 0.90 CNR1 (0.47) CNR1CNR2
SCHEMBL9897913 0.90 CNR1 (0.47) CNR1CNR2
SCHEMBL9899586 0.90 CNR1 (0.47) CNR1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A CNR1 3069/4885CNR2 2377/4885PDE4A 3/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CNR1 3001/4885CNR2 2118/4885PDE4A 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.